1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine

C17H19F2NS — CID 66098648

IUPAC1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2NS/c1-3-20-16(13-8-14(18)10-15(19)9-13)11-21-17-7-5-4-6-12(17)2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyCRIALVQRPCHLLZ-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.72
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine

1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66098648) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66098648
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2NS/c1-3-20-16(13-8-14(18)10-15(19)9-13)11-21-17-7-5-4-6-12(17)2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyCRIALVQRPCHLLZ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
N-ethyl-2-(2-methylphenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374729
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
CID 79704702
2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
CID 65136205
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526719
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine (CID 66098648) is 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine is CCNC(CSc1ccccc1C)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is CRIALVQRPCHLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-3-20-16(13-8-14(18)10-15(19)9-13)11-21-17-7-5-4-6-12(17)2/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 307.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66098648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).